0 B6R0.5 C#CCC(C)(C)N Z3210767531 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.5 C#CCC(C)(C)O Z1098923701 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.5 CC(C)(F)CCN Z2515207542 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.5 CC(C)(N)CCF Z4297373689 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.5 CC(C)(N)CCN Z2218555716 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.5 CC(C)(N)CCO Z1198183553 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.5 CC(C)(O)CC#N Z1182322175 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.5 CC(F)(F)CCN Z2230911674 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.5 CCCC(C)(C)N Z1262250787 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.5 CCCC(C)(C)O Z449374450 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.5 CNCC(C)(C)C Z992717054 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.5 CNCC(C)(C)O Z600453550 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.5 COCC(C)(C)N Z1258578421 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.5 CS(=O)(=O)CCN Z265638750 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.5 C[N+](C)(C)CCBr Z1269136668 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.5 C[N+](C)(C)CCF Z1255450613 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.5 C[N+](C)(C)CCO Z2758800560 [0,0,0,0,0,0|0,0,0]=0 17 B6R0.5 NS(=O)(=O)CCO Z1267897807 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 C=C(C)CCN Z1203582475 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC(=CCN)C Z1827897919 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(=O)CCO Z906206900 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(C)CC#N Z104473272 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(C)CCO Z104473558 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CC(N)CCO Z385458430 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CC(O)CCN Z802904114 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CC(O)CCO Z104473530 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCCC(C)N Z2417819590 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CN(C)CCF Z5487577684 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CN(C)CCO Z104473552 [1,0,0,0,0,0|0,0,1]=2 29 B5R0.1 CN(C)CCS Z362025514 [1,0,0,0,0,0|0,1,1]=3 30 B5R0.1 CNCC(C)C Z951367674 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CS(=O)CCN Z802568576 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 C[C@@H](N)CCO Z1526453858 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 C[C@@H](O)CCN Z1860991703 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 N=C(N)CCO Z1198394167 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 NC(=O)CCO Z431951940 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.4 CC(C)(C)C#N Z278179882 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.4 CC(C)(C)CN Z291234094 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.4 CC(C)(C)CO Z397587176 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.4 CC(C)(N)CN Z1266854946 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.4 CC(C)(O)CO Z600454414 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.4 CCC(C)(C)N Z104480062 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.4 CCC(C)(C)O Z104473496 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.8 C=CCNC(C)(C)C Z2583036183 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.8 CC(C)(C)CCC#N Z819990894 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.8 CC(C)(C)CCCN Z819989370 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.8 CC(C)(C)CCCO Z1183459256 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.8 CC(C)(C)NCCN Z756919712 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.8 CC(C)(C)OCCN Z362798546 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.8 CC(C)(C)SCCO Z71305457 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.8 CC(C)(N)CCCN Z1184860919 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.8 CCCNC(C)(C)C Z744754558 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.8 CCNCC(C)(C)O Z600453556 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.8 CNCCC(C)(C)C Z2380417739 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.8 CNCCC(C)(C)N Z2313105672 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.8 COCCC(C)(C)N Z879061970 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.8 CS(=O)(=O)NCCO Z57801016 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.9 CC(N)CC(C)(C)C Z1171199384 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.9 CC(N)CC(C)(C)O Z2235409221 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.9 C[N+](C)(C)CC(=O)[O-] Z2289798098 [0,1,0,0,0,0|0,0,2]=3 71 B7R0.9 C[N+](C)(N)CC(=O)[O-] Z56832246 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.11 C#CCC(C)(C)CN Z2786076871 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.11 C=CCC(C)(C)CN Z2211231731 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.11 C=CCC(C)(C)CO Z1255384026 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.11 CC(C)(CN)CCO Z1203583786 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.11 CC(C)(CO)CC#N Z1198174423 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.11 CC(C)(CO)CCN Z2234185673 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.11 CC(O)(CO)CCO Z1238572721 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.11 CCC(C)(C)CCN Z2724442932 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.11 CCC(C)(C)CCO Z1198160090 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.11 CCCC(C)(N)CO Z734150846 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.11 CCNC(C)(C)CO Z286489718 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.11 CCOC(C)(C)CO Z1251352968 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.11 CNC(C)(C)COC Z1093758072 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.11 CNCC(C)(C)CO Z1198235262 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.11 CNCC(C)(C)NC Z4308916979 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.11 COC(C)(C)CCN Z2739025483 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.11 COCC(C)(C)CN Z2188171555 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.11 COCC(C)(C)CO Z1198238137 [0,1,0,0,0,0|3,0,0]=4 90 B7R0.11 OCCC(F)(F)CO Z1896514152 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.14 C#CC(N)C(C)(C)C Z2082999410 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.14 C=CC(O)C(C)(C)C Z1262397707 [0,1,0,0,0,0|2,0,1]=4 93 B7R0.14 CC(C#N)C(C)(C)C Z415654756 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.14 CC(C)(C)/C(=N/O)/N Z278180212 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.14 CC(C)(C)C(=O)CN Z56800493 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.14 CC(C)(C)C(=O)NO Z59181923 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.14 CC(C)(C)C(N)C#N Z803055956 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.14 CC(C)(C)C(N)CN Z1992316411 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.14 CC(C)(C)C(N)CO Z2004547930 [0,1,0,0,0,0|1,0,0]=2 100 B7R0.14 CC(C)(C)C(O)CN Z803056426 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.14 CCC(N)C(C)(C)O Z2216302967 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.14 CNC(C)C(C)(C)C Z335451384 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.14 CC1(CCCC1)O Z449370856 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.14 CC1(CCCN1)C Z1259335892 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.14 CC1(CCNC1)C Z1270207926 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.14 CC1(CCNC1)O Z1139194384 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.14 CC1(CCOC1)N Z1895741238 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.14 CC1(CCSC1)N Z4990294346 [0,0,0,1,0,0|2,1,0]=4 109 B7R1.14 CC1(CCSC1)O Z1359841674 [0,0,0,1,0,0|2,1,0]=4 110 B7R1.14 CC1(CNOC1)O Z3035808330 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.16 CC1(CC(C1)O)N Z1618150088 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.16 CC1CC(C1)(C)N Z3034505681 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.16 CC1CC(N1)(C)C Z803145478 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.16 C[C@@]1(C[C@@H](C1)N)F Z2740389572 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.21 CC1(CC1)CC=O Z3247248393 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.21 CC1(CC1)CCO Z1813155991 [0,0,0,1,0,0|1,0,0]=2 118 B7R1.21 CC1(CO1)CCO Z1486026620 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.21 CCCC1(CC1)N Z3072982019 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.21 CCCC1(CO1)C Z1020679916 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.21 NC1(CC1)CCO Z2211231673 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.23 CC1(CC1C#N)C Z756145422 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.23 CC1(CC1C=O)C Z1511745659 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.23 CC1(CC1CN)C Z1267773739 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.23 CC1(CC1CO)C Z1198310193 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.23 CC1(OC1CCl)C Z1205657657 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.23 CC1(OC1CO)C Z1486035926 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.23 CC1(O[C@@H]1CO)C Z1896550092 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.23 CC1(O[C@H]1CO)C Z1896541488 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.23 CNC1CC1(C)C Z1895742049 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.26 CC(C)(C)C1CO1 Z278165182 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.26 CC(C)(C)[C@@H]1CO1 Z1575341657 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.26 CC(C)(O)C1CC1 Z449374598 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.26 CC(C)(O)C1CO1 Z1504677029 [0,0,0,1,0,0|2,0,0]=3 136 B4R0.1 CC(C)NO Z1198161074 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 CC(O)CO Z106938868 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 CCC(C)N Z104472234 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.1 CC[C@@H](C)O Z1203162396 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 C[C@@H](N)CO Z346076140 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 C[C@@H](O)CO Z1255486379 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 C[C@H](O)CO Z1255449993 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|2,0,0]=4 144 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.3 CC(C)(C)Cl Z281778956 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|2,0,0]=4 152 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.1 CNC(=O)CCO Z975909370 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|2,0,0]=4 157 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.2 CC(C)CB(O)O Z1098324138 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.2 CC(C)CC(=O)O Z104474910 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.2 CN(C)CC(=O)O Z235580496 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.3 CC(C)C(C)CN Z415654990 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.3 CC(C)C(N)CN Z1266933925 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.3 CC(C)C(O)CN Z1255523288 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.3 CC(CN)N(C)C Z367452450 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.3 CC(N)C(C)CO Z1203581847 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 CCC(N)C(C)C Z823287438 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 CCC(O)C(C)C Z445987082 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 CN(C)C(=O)CO Z431952018 [1,1,0,0,0,0|0,0,2]=4 171 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|1,0,0]=3 174 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.4 CN(C)CCC#N Z57980324 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.4 CNCCN(C)C Z138123106 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 COCCC(=O)C Z362119682 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.4 COCCC(C)N Z361881180 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.4 COCCN(C)C Z5121096537 [1,1,0,0,0,0|0,0,1]=3 186 B6R0.7 CC(C)C(C)(C)N Z1270446314 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.7 CC(N)C(C)(C)F Z3487099771 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.7 CC(O)C(C)(C)N Z3688848535 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.8 CC(C)(CN)CO Z3247605488 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.8 CCC(C)(C)C#N Z1079179196 [1,1,0,0,0,0|1,0,1]=4 191 B6R0.8 CCC(C)(C)CO Z995039230 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.8 CCC(C)(C)NC Z335250498 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.8 CCC(C)(N)CC Z1267881628 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.8 CCC(C)(N)CN Z425861002 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.8 CCC(C)(N)CO Z734150850 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.8 CCC(C)(O)CC Z449374480 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.8 CCC(C)(O)CN Z419085064 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.8 CNC(C)(C)CN Z1511495256 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.8 CNC(C)(C)CO Z425727892 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.8 COC(C)(C)CN Z1266933932 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.8 COC(C)(C)CO Z1255430497 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.8 CSC(C)(C)CN Z1203639115 [1,1,0,0,0,0|2,0,0]=4 203 B8R0.14 C#CCC(O)C(C)(C)C Z969111588 [0,2,0,0,0,0|2,0,0]=4 204 B8R0.14 CC(C)(C)C(N)CCO Z223025190 [0,2,0,0,0,0|1,0,0]=3 205 B8R0.14 CC(C)(C)S(=O)CCN Z802568500 [0,2,0,0,0,0|2,0,0]=4 206 B8R0.14 CCCC(=O)C(C)(C)C Z406377804 [0,2,0,0,0,0|2,0,0]=4 207 B8R0.14 CCCC(N)C(C)(C)C Z2235409321 [0,2,0,0,0,0|2,0,0]=4 208 B8R0.21 C#CCCNC(C)(C)C Z3068920113 [0,2,0,0,0,0|2,0,0]=4 209 B8R0.21 CC(C)(C)C#CCCN Z4614587167 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.21 CC(C)(C)NCCC#N Z381045604 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.21 CC(C)(C)NCCCN Z56979399 [0,2,0,0,0,0|2,0,0]=4 212 B8R0.21 CC(C)(C)NCCCO Z1268152325 [0,2,0,0,0,0|1,0,0]=3 213 B8R0.21 CC(C)(C)SCCCN Z4381083105 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,2,0,0,0,0|2,0,0]=4 215 B8R0.24 C#CC(N)CC(C)(C)C Z5797749471 [0,2,0,0,0,0|2,0,0]=4 216 B8R0.24 CC(C)(C)CC(N)CN Z1992316386 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.24 CC(C)(C)CC(N)CO Z1041195604 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.24 CC(C)(C)CC(O)CN Z1041195378 [0,2,0,0,0,0|1,0,0]=3 219 B8R0.24 CC(C)(C)NC(=O)CO Z431952026 [0,2,0,0,0,0|1,0,1]=4 220 B8R0.24 CC(C)(C)OC(=O)CO Z431952234 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.24 CC(CO)CC(C)(C)N Z1270446291 [0,2,0,0,0,0|2,0,0]=4 222 B8R0.25 CC(C)(CN)CCCO Z1251362804 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.25 CC(C)(CN)OCCO Z4912053140 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.25 CC(C)(CO)CCC#N Z1198321316 [0,2,0,0,0,0|2,0,0]=4 225 B8R0.25 CC(C)(CO)CCCN Z1203160200 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.25 CC(C)(CO)NCCO Z425728002 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.25 CCNCC(C)(C)CO Z1203746234 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.25 CCOCC(C)(C)CN Z1335969590 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.25 COCCC(C)(O)CN Z879074216 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.29 CC(C)(C)CCC(=N)N Z3481620976 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,2,0,0,0,0|1,0,1]=4 234 B8R0.29 CC(C)(C)SCC(=O)O Z66636002 [0,2,0,0,0,0|1,0,1]=4 235 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.27 CC(C)(C)C(N)C(=O)O Z217166134 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.27 CC(C)(C)C(O)C(=O)O Z803056544 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.27 CC(C)(C)[C@H](N)C(=O)O Z425412414 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.33 CC(C)(C)CC(C)(C)N Z104494824 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.34 CC(C)(CN)CC(F)F Z2784820490 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.34 CC(C)CC(C)(C)CN Z1359429576 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.34 CC(O)CC(C)(C)CN Z1259162049 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,2,0,0,0,0|1,0,1]=4 247 B8R0.34 COC(C)(C)CC(C)N Z364242456 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.13 CSC(C)(C)[C@H](N)CO Z228588390 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.30 COCC(C)(N)CCO Z1258990600 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.17 CC(C)(C)C(C)(C)CN Z2217033075 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.17 CC(C)(C)C(C)(O)CN Z3067125760 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.17 CC(C)(N)C(C)(C)CO Z1342879033 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.17 CC(C)(O)C(C)(C)CO Z1255360655 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.26 CC(C)(C)C(CO)CO Z1255427736 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.26 CNC(CO)C(C)(C)C Z803056522 [0,2,0,0,0,0|1,0,0]=3 257 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|2,0,0]=4 258 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.5 CC1CC(C1)N Z1357823942 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.5 CN1CC(C1)N Z1741969265 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.5 N[C@H]1C[C@H](C1)O Z1416282421 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.5 O[C@H]1C[C@H](C1)O Z2065357735 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.9 CC1(CC1N)C Z1259335876 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.10 CC1(CCN1)C Z1198749898 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.11 CC(C)C1CO1 Z1020679856 [1,0,0,1,0,0|1,0,0]=3 271 B6R1.7 CC1(CC1)CN Z1335657802 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.7 CCC1(CC1)N Z2234631229 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.7 CCC1(CO1)C Z1020679924 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.7 CNC1(CC1)C Z2310723089 [1,0,0,1,0,0|2,0,0]=4 275 B6R1.7 NC1(CC1)CO Z1741975623 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.21 CC(C)(C)[C@@H]1C[C@H]1N Z3688622578 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.27 COCC1OC1(C)C Z4188724290 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.41 CC1(CC1)CCC=O Z1511890142 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.41 COCCC1(CC1)N Z2310679165 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.51 CC1(CC(CO1)N)C Z2938030584 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.51 CC1CC(CN1)(C)C Z2327226250 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.51 CC1CNC(C1)(C)C Z1203731935 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.53 CC1(CC(C1)C=O)C Z1511834993 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.53 CC1(CC(C1)CN)C Z1762997337 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.53 CC1(CC(C1)CO)C Z1255460358 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.55 CC(C)(C)C1CNC1 Z2251842341 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.56 CC(C)(O)CC1CO1 Z1504674674 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.72 CC1(CNCCO1)C Z374049350 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.72 CC1(CNCCS1)C Z1203749178 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.72 CC1(COCOC1)C Z1198147441 [0,1,0,1,0,0|1,0,0]=3 295 B8R1.72 CC1(CSCCN1)C Z1203747824 [0,1,0,1,0,0|1,1,0]=4 296 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.19 CC1(CNCC1O)C Z1925930473 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.19 CC1NCCC1(C)C Z3016741300 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.28 CC(C)(CN)C1CC1 Z1203642380 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.29 CC1(C[C@H]([C@H]1O)N)C Z3486644250 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.52 CC1(CCCC1)CN Z56757289 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.52 CC1(CCNC1)CN Z1993522731 [0,1,0,1,0,0|2,0,0]=4 306 B8R1.52 CC1(CCNC1)CO Z1270138787 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.52 CC1(CCOC1)C=O Z1511835334 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.52 CC1(CCOC1)CN Z995185734 [0,1,0,1,0,0|1,0,0]=3 309 B8R1.52 CC1(CCOC1)CO Z1270138617 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.52 CCC1(CCNC1)C Z979421246 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.52 CCC1(CCOC1)N Z2010009859 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.52 CNC1(CCCC1)C Z1895741267 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.52 CNC1(CCOC1)C Z3824199181 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.52 COC1(CCNC1)C Z2237598976 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.52 NCC1(CCOC1)F Z2830496127 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.52 OCC1(CCOC1)O Z1537124515 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.62 CC1CC(C1)(C)CN Z3272614457 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.62 NC1(CC(C1)O)CO Z4354944969 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.62 N[C@@]1(C[C@@H](C1)O)CO Z4425391382 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.66 CC1(CCC1)CCN Z1203642381 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.66 NC1(CCC1)CCO Z1335657821 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.82 CCCC1(CC1)CN Z1416200947 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.82 NCC1(CC1)CCO Z1739254979 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.39 NC1(CC1)C(O)CO Z4280384138 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.65 CC1(CC1(C)CN)C Z2785821835 [0,1,0,1,0,0|2,0,0]=4 327 B8R2.2 C[C@@]12CNC[C@@H]1C2 Z2961068041 [0,0,0,2,0,0|2,0,0]=4 328 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,2,0,0|2,0,0]=4 329 B8R2.55 C1CC2(CC2)CN1 Z1623872220 [0,0,0,2,0,0|2,0,0]=4 330 B8R2.55 C1CC2(CO1)CO2 Z1124555951 [0,0,0,2,0,0|2,0,0]=4 331 B8R2.43 CC12CC(C1)(C2)N Z3013991390 [0,0,0,2,0,0|2,0,0]=4 332 B8R2.41 ClC1(CC1)C2CO2 Z4383882726 [0,0,0,2,0,0|2,0,0]=4